Stefan Grimme
Affiliations: | Chemistry | University of Muenster, Germany, Münster, Nordrhein-Westfalen, Germany |
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Sign in to add trainee| Lars Goerigk | grad student | University of Muenster, Germany | |
| Ekaterina Izgorodina | grad student | University of Muenster, Germany |
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Publications
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| Bursch M, Grimme S, Hansen A. (2023) Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl Compounds. Accounts of Chemical Research. 57: 153-163 |
| Wolff B, Qu ZW, Grimme S, et al. (2023) Discrimination of the Enantiotopic Faces of Structurally Unbiased Carbenium Ions Employing a Cyclohexadiene-Based Chiral Hydride Source. Angewandte Chemie (International Ed. in English). e202305295 |
| He T, Qu ZW, Klare HFT, et al. (2022) Intermolecular Carbosilylation of α-Olefins with C(sp3)-C(sp) Bond Formation Involving Silylium-Ion Regeneration. Angewandte Chemie (International Ed. in English) |
| Maurer LR, Bursch M, Grimme S, et al. (2021) Assessing Density Functional Theory for Chemically Relevant Open-Shell Transition Metal Reactions. Journal of Chemical Theory and Computation. 17: 6134-6151 |
| de Wergifosse M, Seibert J, Grimme S. (2020) Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotation. The Journal of Chemical Physics. 153: 084116 |
| Spicher S, Grimme S. (2020) Efficient Computation of Free Energy Contributions for Association Reactions of Large Molecules. The Journal of Physical Chemistry Letters. 11: 6606-6611 |
| Neugebauer H, Bohle F, Bursch M, et al. (2020) Benchmark Study of Electrochemical Redox Potentials Calculated with Semiempirical and DFT Methods. The Journal of Physical Chemistry. A. 124: 7166-7176 |
| Katsyuba SA, Spicher S, Gerasimova TP, et al. (2020) Fast and Accurate Quantum Chemical Modeling of Infrared Spectra of Condensed-Phase Systems. The Journal of Physical Chemistry. B |
| Qu ZW, Zhu H, Katsyuba SA, et al. (2020) Acid-Catalyzed Rearrangements of 3-Aryloxirane-2-Carboxamides: Novel DFT Mechanistic Insights. Chemistryopen. 9: 743-747 |
| Georg I, Bursch M, Stückrath JB, et al. (2020) Building up Strain in One Step: Synthesis of an Edge-Fused Double Silacyclobutene from an Extensively Trichlorosilylated Butadiene Dianion. Angewandte Chemie (International Ed. in English) |